Commit Graph

10 Commits

Author SHA1 Message Date
Rafael Ravedutti
ab2eb1ff50 Write LAMMPS kernel with SIMD intrinsics and implement AVX512 with double-precision functions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-04-05 02:57:23 +02:00
Rafael Ravedutti
f3263a2d48 Separate simd file into multiple files
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-16 14:52:55 +01:00
Rafael Ravedutti
d61576699d Add first compilable version of Gromacs with SP
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-15 02:40:56 +01:00
Rafael Ravedutti
2b441e691e Make code compilable
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-09 17:23:49 +01:00
Rafael Ravedutti
c7360305c8 Add first draft version of GROMACS method separating i-clusters and j-clusters
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-09 02:25:39 +01:00
Rafael Ravedutti
af92800c64 Add SIMD version with AVX (no AVX2) and XTC output
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-02 23:12:04 +01:00
Rafael Ravedutti
cdb1d5b9f1 Add version with AVX2 intrinsics for gromacs scheme
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-04 17:52:48 +01:00
Rafael Ravedutti
6e6a3f6502 Use aligned loads when gathering j atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-04 14:29:32 +01:00
Rafael Ravedutti
9daf9e5f4d Fix exclusion masks and add SIMD debug tools
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-02 21:54:18 +01:00
Rafael Ravedutti
6ad1e58a3e Add first kernel using SIMD instrinsics for 4xn cases
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-02 18:00:44 +01:00